General Information of the Compound
| Compound ID |
CP0955704
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| Compound Name |
1-((2'-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)-[1,1'-biphenyl]-4-yl)methyl)-N-(2-fluorophenethyl)-4-methyl-2-propyl-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C38H38FN5O4S
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| Molecular Weight |
679.818
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NCCc3ccccc3F)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
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| InChI |
InChI=1S/C38H38FN5O4S/c1-5-10-35-41-36-24(2)21-30(37(45)40-20-19-29-11-6-8-13-32(29)39)22-33(36)44(35)23-27-15-17-28(18-16-27)31-12-7-9-14-34(31)49(46,47)43-38-25(3)26(4)42-48-38/h6-9,11-18,21-22,43H,5,10,19-20,23H2,1-4H3,(H,40,45)
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| InChIKey |
DUQYMBAKMGPNBF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound